SN1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA2 | CB2 | doub | 1.35Å | 1.33Å | |
| CA2 | C2 | sing | 1.42Å | 1.47Å | |
| CA2 | HA2 | sing | 1.08Å | 1.10Å | |
| CB2 | CG | sing | 1.47Å | 1.47Å | |
| CB2 | HB2 | sing | 1.08Å | 1.10Å | |
| CG | CD1 | doub | 1.41Å | 1.40Å | Aromatic |
| CG | CD2 | sing | 1.40Å | 1.39Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.38Å | Aromatic |
| CD1 | OH2 | sing | 1.36Å | 1.37Å | |
| CE1 | CZ | doub | 1.39Å | 1.38Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.10Å | |
| CD2 | CE2 | doub | 1.37Å | 1.39Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.10Å | |
| CE2 | CZ | sing | 1.39Å | 1.39Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.10Å | |
| CZ | OH1 | sing | 1.36Å | 1.37Å | |
| OH1 | HH1 | sing | 0.97Å | 0.95Å | |
| OH2 | HH2 | sing | 0.97Å | 0.95Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| C2 | O1 | sing | 1.35Å | 1.32Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CB2 | CA2 | C2 | 119.0° | 120.0° |
| CB2 | CA2 | HA2 | 115.7° | 120.1° |
| CA2 | CB2 | CG | 128.9° | 120.0° |
| CA2 | CB2 | HB2 | 109.8° | 120.0° |
| C2 | CA2 | HA2 | 125.2° | 119.9° |
| CA2 | C2 | O2 | 123.3° | 120.0° |
| CA2 | C2 | O1 | 112.8° | 120.0° |
| CG | CB2 | HB2 | 121.3° | 120.0° |
| CB2 | CG | CD1 | 119.4° | 120.2° |
| CB2 | CG | CD2 | 121.0° | 120.2° |
| CD1 | CG | CD2 | 119.5° | 119.6° |
| CG | CD1 | CE1 | 120.0° | 119.6° |
| CG | CD1 | OH2 | 120.3° | 120.2° |
| CG | CD2 | CE2 | 120.3° | 120.1° |
| CG | CD2 | HD2 | 119.8° | 119.9° |
| CE1 | CD1 | OH2 | 119.7° | 120.2° |
| CD1 | CE1 | CZ | 120.1° | 120.0° |
| CD1 | CE1 | HE1 | 119.7° | 120.0° |
| CD1 | OH2 | HH2 | 120.3° | 106.8° |
| CZ | CE1 | HE1 | 120.2° | 120.0° |
| CE1 | CZ | CE2 | 120.8° | 120.3° |
| CE1 | CZ | OH1 | 118.3° | 119.9° |
| CE2 | CD2 | HD2 | 119.9° | 120.0° |
| CD2 | CE2 | CZ | 119.2° | 120.4° |
| CD2 | CE2 | HE2 | 120.3° | 119.8° |
| CZ | CE2 | HE2 | 120.5° | 119.8° |
| CE2 | CZ | OH1 | 120.9° | 119.8° |
| CZ | OH1 | HH1 | 118.3° | 106.8° |
| O2 | C2 | O1 | 123.8° | 120.0° |
| C2 | O1 | HO1 | 112.8° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CB2 | CA2 | C2 | HA2 | 180.0° | 179.9° |
| CA2 | CB2 | CG | HB2 | 180.0° | 179.9° |
| CA2 | CB2 | CG | CD1 | 157.6° | 179.8° |
| CA2 | CB2 | CG | CD2 | 22.6° | 0.1° |
| CB2 | CA2 | C2 | O2 | 119.2° | 0.0° |
| CB2 | CA2 | C2 | O1 | 57.8° | 179.9° |
| C2 | CA2 | CB2 | CG | 179.1° | 180.0° |
| C2 | CA2 | CB2 | HB2 | 0.9° | 0.1° |
| CA2 | C2 | O2 | O1 | 176.6° | 179.9° |
| CA2 | C2 | O1 | HO1 | 180.0° | 180.0° |
| HA2 | CA2 | CB2 | CG | 0.9° | 0.1° |
| HA2 | CA2 | CB2 | HB2 | 179.1° | 180.0° |
| HA2 | CA2 | C2 | O2 | 60.8° | 180.0° |
| HA2 | CA2 | C2 | O1 | 122.3° | 0.0° |
| CB2 | CG | CD1 | CD2 | 179.7° | 179.7° |
| CB2 | CG | CD1 | CE1 | 179.1° | 179.8° |
| CB2 | CG | CD1 | OH2 | 0.4° | 0.3° |
| CB2 | CG | CD2 | CE2 | 179.0° | 180.0° |
| CB2 | CG | CD2 | HD2 | 1.0° | 0.1° |
| HB2 | CB2 | CG | CD1 | 22.4° | 0.3° |
| HB2 | CB2 | CG | CD2 | 157.4° | 180.0° |
| CG | CD1 | CE1 | OH2 | 179.5° | 179.5° |
| CG | CD1 | CE1 | CZ | 0.2° | 0.5° |
| CG | CD1 | CE1 | HE1 | 179.8° | 179.7° |
| CD1 | CG | CD2 | CE2 | 0.8° | 0.2° |
| CD1 | CG | CD2 | HD2 | 179.3° | 179.8° |
| CG | CD1 | OH2 | HH2 | 180.0° | 90.5° |
| CD2 | CG | CD1 | CE1 | 0.7° | 0.5° |
| CD2 | CG | CD1 | OH2 | 179.8° | 180.0° |
| CG | CD2 | CE2 | HD2 | 179.9° | 180.0° |
| CG | CD2 | CE2 | CZ | 0.4° | 0.0° |
| CG | CD2 | CE2 | HE2 | 179.6° | 179.9° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.7° |
| CD1 | CE1 | CZ | CE2 | 0.2° | 0.2° |
| CD1 | CE1 | CZ | OH1 | 179.7° | 179.8° |
| CE1 | CD1 | OH2 | HH2 | 0.5° | 90.0° |
| OH2 | CD1 | CE1 | CZ | 179.7° | 180.0° |
| OH2 | CD1 | CE1 | HE1 | 0.3° | 0.3° |
| CE1 | CZ | CE2 | CD2 | 0.1° | 0.1° |
| CE1 | CZ | CE2 | OH1 | 180.0° | 180.0° |
| CE1 | CZ | CE2 | HE2 | 179.9° | 179.9° |
| CE1 | CZ | OH1 | HH1 | 180.0° | 90.0° |
| HE1 | CE1 | CZ | CE2 | 179.8° | 180.0° |
| HE1 | CE1 | CZ | OH1 | 0.2° | 0.0° |
| CD2 | CE2 | CZ | HE2 | 179.9° | 179.9° |
| CD2 | CE2 | CZ | OH1 | 179.8° | 179.9° |
| HD2 | CD2 | CE2 | CZ | 179.7° | 179.9° |
| HD2 | CD2 | CE2 | HE2 | 0.4° | 0.0° |
| CE2 | CZ | OH1 | HH1 | 0.0° | 90.0° |
| HE2 | CE2 | CZ | OH1 | 0.1° | 0.1° |
| O2 | C2 | O1 | HO1 | 3.0° | 0.1° |
